2-methyl-N-(2-sulfanylethyl)propanamide

C6H13NOS — CID 23374889

IUPAC2-methyl-N-(2-sulfanylethyl)propanamide
SMILESCC(C)C(=O)NCCS
InChIInChI=1S/C6H13NOS/c1-5(2)6(8)7-3-4-9/h5,9H,3-4H2,1-2H3,(H,7,8)
InChIKeyWQBYRLVFJGEOIY-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.69
Rot. Bonds3

About 2-methyl-N-(2-sulfanylethyl)propanamide

2-methyl-N-(2-sulfanylethyl)propanamide (PubChem CID 23374889) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-methyl-N-(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-sulfanylethyl)propanamide
PubChem CID23374889
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-methyl-N-(2-sulfanylethyl)propanamide
SMILESCC(C)C(=O)NCCS
InChIInChI=1S/C6H13NOS/c1-5(2)6(8)7-3-4-9/h5,9H,3-4H2,1-2H3,(H,7,8)
InChIKeyWQBYRLVFJGEOIY-UHFFFAOYSA-N
XLogP0.69
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-2-methylpropanamide
CID 21034170
(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide
CID 102305580
1-N,2-N,3-N-tris(2-sulfanylethyl)propane-1,2,3-tricarboxamide
CID 10132786
N-(aminomethyl)-2-methylpropanamide
CID 88582106
CID 155068879
CID 155068879
N-(3-iodobutyl)-2-methylpropanamide
CID 139362992
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
N-but-3-enyl-2-methylpropanamide
CID 3434507
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-(4-iodobutyl)-2-methylpropanamide
CID 106846400

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-sulfanylethyl)propanamide?
The IUPAC name of 2-methyl-N-(2-sulfanylethyl)propanamide (CID 23374889) is 2-methyl-N-(2-sulfanylethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-sulfanylethyl)propanamide?
The canonical SMILES for 2-methyl-N-(2-sulfanylethyl)propanamide is CC(C)C(=O)NCCS.
What is the InChIKey of 2-methyl-N-(2-sulfanylethyl)propanamide?
The InChIKey is WQBYRLVFJGEOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(2)6(8)7-3-4-9/h5,9H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-methyl-N-(2-sulfanylethyl)propanamide?
2-methyl-N-(2-sulfanylethyl)propanamide has a molecular weight of 147.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-sulfanylethyl)propanamide is sourced from PubChem (CID 23374889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).